Now showing items 1-5 of 5

  • Binding Leverage as a Molecular Basis for Allosteric Regulation 

    Mitternacht, Simon; Berezovsky, Igor N. (Public Library of Science, 2011-09-15)
    Allosteric regulation involves conformational transitions or fluctuations between a few closely related states, caused by the binding of effector molecules. We introduce a quantity called binding leverage that measures ...
  • Coherent Conformational Degrees of Freedom as a Structural Basis for Allosteric Communication 

    Mitternacht, Simon; Berezovsky, Igor N. (Public Library of Science, 2011-12-08)
    Conformational changes in allosteric regulation can to a large extent be described as motion along one or a few coherent degrees of freedom. The states involved are inherent to the protein, in the sense that they are ...
  • A geometry-based generic predictor for catalytic and allosteric sites 

    Mitternacht, Simon; Berezovsky, Igor N. (Oxford University Press, 2011)
    An important aspect of understanding protein allostery, and of artificial effector design, is the characterization and prediction of substrate- and effector-binding sites. To find binding sites in allosteric enzymes, many ...
  • Mechanical resistance in unstructured proteins 

    Jónsson, Sigurður Ægir; Mitternacht, Simon; Irbäck, Anders (Elsevier, 2013-06-18)
    Single-molecule pulling experiments on unstructured proteins linked to neurodegenerative diseases have measured rupture forces comparable to those for stable folded proteins. To investigate the structural mechanisms of ...
  • Monte Carlo Study of the Formation and Conformational Properties of Dimers of Aβ42 Variants 

    Mitternacht, Simon; Staneva, Iskra; Härd, Torleif; Irbäck, Anders (Elsevier, 2011)
    Small soluble oligomers, and dimers in particular, of the amyloid β-peptide (Aβ) are believed to play an important pathological role in Alzheimer's disease. Here, we investigate the spontaneous dimerization of Aβ42, with ...